SCHEMBL7808599

SCHEMBL7808599

CCOC(=O)c1ccccc1CN(C)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.54
KMT2A Q03164 3/20 0.53
HRH1 P35367 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
ADORA3 P0DMS8 3/20 0.52
CHRM1 P11229 3/20 0.52
DRD2 P14416 3/20 0.52
ADRA2B P18089 3/20 0.52
ADRA2C P18825 3/20 0.52
CHRM3 P20309 3/20 0.52
SLC6A2 P23975 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
ADRA1A P35348 3/20 0.52
DRD3 P35462 3/20 0.52
OPRK1 P41145 3/20 0.52
SLC6A3 Q01959 3/20 0.52
KCNH2 Q12809 3/20 0.52
SMPD1 P17405 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7604567 0.85 SLC6A4 (0.58) SLC6A4KMT2AHRH1LMNAMAPT
Hydrochloric Acid SCHEMBL7806943 0.84 LMNA (0.59) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL7810899 0.81 KMT2A (0.53) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL4678769 0.80 SLC6A4 (0.63) SLC6A4KMT2AHRH1LMNAMAPT
Imipramine SCHEMBL2822809 0.77 SLC6A4 (0.59) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL7808399 0.76 MAPK1 (0.51) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL218473 0.72 SLC6A4 (0.66) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL4733904 0.72 SLC6A4 (0.65) SLC6A4KMT2AHRH1LMNAMAPT
SCHEMBL4907497 0.72 TSHR (0.65) SLC6A4KMT2ALMNAMAPTSLC6A2
Imipramine SCHEMBL20644144 0.71 SLC6A4 (0.83) SLC6A4KMT2AHRH1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820443-B1 HETEROCYCLIC COMPOUNDS FOR TREATING DIABETES NOVO NORDISK AS (DK) 2001-09-19 EP disclosed
EP-0820443-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031481-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed